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| CAS No.: | 116574-75-5 |
|---|---|
| Name: | 3-FLUOROPIPERIDINE |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C5H10FN |
| Molecular Weight: | 103.14 |
| Synonyms: | 3-FLUOROPIPERIDINE;3-FluoropiperidineHCl;3-Fluoropiperidine hydrochloride |
| Density: | 0.97 g/cm3 |
| Melting Point: | 227 °C |
| Boiling Point: | 120.2 °C at 760 mmHg |
| Flash Point: | 26.5 °C |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 12.03000 |
| LogP: | 1.03670 |
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- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- Total:29 Page 1 of 1 1
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Specification
The systematic name of 3-Fluoropiperidine hydrochloride hydrochloride is 3-Fluoropiperidine hydrochloride hydrochloride. With the CAS registry number 116574-75-5, it is also named as Piperidine, 3-fluoro-, hydrochloride (1:1). The product's categories are Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Piperidines; Piperidines Heterocyclic Building Blocks. In addition, its molecular formula is C5H10FN.HCl and its molecular weight is 139.60.
The other characteristics of 3-Fluoropiperidine hydrochloride hydrochloride can be summarized as: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.44; (4)ACD/LogD (pH 7.4): -1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 26.5 °C; (14)Melting Point: 227 °C; (15)Enthalpy of Vaporization: 35.83 kJ/mol; (16)Boiling Point: 120.2 °C at 760 mmHg; (17)Vapour Pressure: 15.4 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. And it is also harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.FC1CCCNC1
(2)InChI: InChI=1/C5H10FN.ClH/c6-5-2-1-3-7-4-5;/h5,7H,1-4H2;1H
(3)InChIKey: RDJUBLSLAULIAT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H10FN.ClH/c6-5-2-1-3-7-4-5;/h5,7H,1-4H2;1H
(5)Std. InChIKey: RDJUBLSLAULIAT-UHFFFAOYSA-N